2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide

C19H15F2N3O4S — CID 30860211

IUPAC2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H15F2N3O4S/c20-18(21)28-13-4-1-11(2-5-13)23-19-24-14(10-29-19)17(25)22-12-3-6-15-16(9-12)27-8-7-26-15/h1-6,9-10,18H,7-8H2,(H,22,25)(H,23,24)
InChIKeyUBECJGHJUYASTP-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.51
Rot. Bonds6

About 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide

2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 30860211) has the molecular formula C19H15F2N3O4S and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID30860211
Molecular FormulaC19H15F2N3O4S
Molecular Weight419.41 g/mol
Exact Mass419.08
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H15F2N3O4S/c20-18(21)28-13-4-1-11(2-5-13)23-19-24-14(10-29-19)17(25)22-12-3-6-15-16(9-12)27-8-7-26-15/h1-6,9-10,18H,7-8H2,(H,22,25)(H,23,24)
InChIKeyUBECJGHJUYASTP-UHFFFAOYSA-N
XLogP4.51
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

CID 3212297
CID 3212297
CID 30860203
CID 30860203
CID 39046844
CID 39046844
CID 2813321
CID 2813321
CID 16881559
CID 16881559
CID 27377850
CID 27377850
CID 27377854
CID 27377854
CID 30860208
CID 30860208
CID 30860231
CID 30860231
CID 155561287
CID 155561287
CID 16955115
CID 16955115
CID 27377911
CID 27377911

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide (CID 30860211) is 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UBECJGHJUYASTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4S/c20-18(21)28-13-4-1-11(2-5-13)23-19-24-14(10-29-19)17(25)22-12-3-6-15-16(9-12)27-8-7-26-15/h1-6,9-10,18H,7-8H2,(H,22,25)(H,23,24).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).